General Information of the Compound
| Compound ID |
CP0364135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl N-[3-[4-[4-(naphthalene-2-carbonylamino)butyl]piperazin-1-yl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N4O3
|
||||||||||||||||||
| Molecular Weight |
474.605
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N4O3/c1-2-35-28(34)30-25-10-7-11-26(21-25)32-18-16-31(17-19-32)15-6-5-14-29-27(33)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,29,33)(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTNQPSDMJWWWGY-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor